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Advances in Modeling of Physical Systems Using Explicitly Correlated Gaussian Functions

In this dissertation recent advances in modeling various atomic and molecular systems with quantum mechanical calculations employing explicitly correlated Gaussian functions are presented. The author has utilized multiple approaches and considered a number of approximations to develop optimal calculation frameworks. Electronic and muonic molecules and atoms have been considered. A number of unique calculations have been performed and some novel and interesting results, including high accuracy description of the charge asymmetry in the heteronuclear systems and lifetimes of rotationless vibrational levels of diatomic molecules, have been generated.

Identiferoai:union.ndltd.org:arizona.edu/oai:arizona.openrepository.com:10150/594645
Date January 2015
CreatorsKirnosov, Nikita
ContributorsAdamowicz, Ludwik, Adamowicz, Ludwik, Anderson, Brian P., Lebed, Andrei, Manne, Srinivas, Monti, Oliver M.
PublisherThe University of Arizona.
Source SetsUniversity of Arizona
Languageen_US
Detected LanguageEnglish
Typetext, Electronic Dissertation
RightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.

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